16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-55.50781733824803 stress="-0.0011508153516711086 -0.0002816942356926278 -0.0006081266430460688 -0.0002816942356926278 -0.0015473230231137559 -0.0005311938786636913 -0.0006081266430460688 -0.0005311938786636913 -0.0011688353035136172" pbc="F F F" Zr 21.29326255 20.89962354 21.04210903 -7.27557508 -14.17949692 -12.09602999 Zr 22.02011096 22.32071561 22.24190094 8.77116025 12.60939517 11.11153888 Zr 24.37261145 21.27219963 20.93381326 -2.96235233 -4.40880205 -3.34657434 Zr 25.63132919 22.75978669 22.22592512 9.91451975 -2.98014505 6.72450241 Zr 20.78504734 24.19366909 21.20288723 -2.51211733 0.28647516 -2.46278205 Zr 22.58343331 25.29585403 22.44809454 -4.32043235 6.17138874 2.46370152 Zr 24.22094491 24.23171545 21.18190327 -6.44590005 -4.28352545 -15.30754623 Zr 25.32183498 25.71219253 22.42485375 7.21168508 8.99338232 5.18038333 Zr 21.11444005 20.88390571 24.16071562 -2.56143721 -3.48959487 -0.67278497 Zr 22.28114386 22.63362859 25.32702941 5.88870847 -4.10063225 8.58157609 Zr 24.07117031 21.04852473 24.30097596 -1.84773107 -5.13633090 -3.18986626 Zr 25.41561068 22.63661615 25.40480033 5.86979824 0.13265369 5.20703760 Zr 20.87719504 23.94171408 24.11041876 -14.81103628 -2.09018691 -9.75423633 Zr 22.12234504 25.33533445 25.24148635 5.92369248 9.70174676 7.73696878 Zr 24.08611608 24.03369179 24.02598936 -5.28864261 -3.55053695 -5.84301628 Zr 25.22329650 25.46375436 25.40583543 4.44566005 6.32420949 5.66712784